Basic information
- CAS
68946-08-7- Standard SMILES
CCn1nc(C(C)(C)C)c2c1-c1ccccc1C2(O)C1CCN(C)CC1- InChIKey
VYEXHVUCZPUIEI-UHFFFAOYSA-N- Molecular formula
- C22H31N3O
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.24671262
Names & identifiers
- Preferred name
- Indeno(1,2-c)pyrazol-4-ol, 1,4-dihydro-3-tert-butyl-1-ethyl-4-(1-methyl-4-piperidyl)-
- IUPAC
- 3-tert-butyl-1-ethyl-4-(1-methylpiperidin-4-yl)indeno[2,1-d]pyrazol-4-ol
- English name
- 1,4-Dihydro-3-tert-butyl-1-ethyl-4-(1-methyl-4-piperidyl)indeno[1,2-c]pyrazol-4-ol
- Molecular weight
- 0
Names & synonyms
BRN 069868468946-08-73-tert-Butyl-1-ethyl-4-(1-methyl-4-piperidyl)-1,4-dihydroindeno(1,2-c)pyrazol-4-olIndeno(1,2-c)pyrazol-4-ol, 1,4-dihydro-3-tert-butyl-1-ethyl-4-(1-methyl-4-piperidyl)-RefChem:3490783-tert-butyl-1-ethyl-4-(1-methylpiperidin-4-yl)-1,4-dihydroindeno[1,2-c]pyrazol-4-olDTXSID009886721,4-Dihydro-3-tert-butyl-1-ethyl-4-(1-methyl-4-piperidyl)indeno[1,2-c]pyrazol-4-ol
Database identifiers
- CAS
68946-08-7- PubChem CID
- 216360
- DTXSID
DTXSID00988672- Nikkaji
- J62.636H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…